4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine

C30H31N3O — CID 50939865

IUPAC4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
InChIKeyACWBFWBJDDHSBS-UHFFFAOYSA-N
MW449.60 g/mol
LogP6.48
Rot. Bonds3

About 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine

4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine (PubChem CID 50939865) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine
PubChem CID50939865
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC Name4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine
SMILESCc1c(-c2ccccc2)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
InChIInChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
InChIKeyACWBFWBJDDHSBS-UHFFFAOYSA-N
XLogP6.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine?
The IUPAC name of 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine (CID 50939865) is 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine is Cc1c(-c2ccccc2)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine?
The InChIKey is ACWBFWBJDDHSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3.
What are the key properties of 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine?
4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine has a molecular weight of 449.60 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-1-(3-methyl-2-phenylquinolin-4-yl)-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).